SCHEMBL7986281

SCHEMBL7986281

CCC(=O)Nc1ncn(Cc2cccc(N(C)C)c2)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
YTHDC1 Q96MU7 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.38
PLK1 P53350 1/20 0.38
HDAC1 Q13547 2/20 0.36
JAK3 P52333 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR4 P22455 1/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
CNR1 P21554 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7987961 0.86 MAPT (0.47) KMT2AYTHDC1ALDH1A1MAPTPKM
SCHEMBL7985670 0.85 CDK9 (0.42) KMT2AYTHDC1ALDH1A1MAPTKDM4E
SCHEMBL7974162 0.85 KDM4E (0.52) KMT2AYTHDC1ALDH1A1FGFR1FGFR4
SCHEMBL7991565 0.84 TSHR (0.49) KMT2AYTHDC1ALDH1A1GAAFGFR1
SCHEMBL7992368 0.83 TP53 (0.47) KMT2AYTHDC1MTNR1AMTNR1BMAPT
SCHEMBL7988093 0.81 FYN (0.43) KMT2AYTHDC1GAAPLK1HDAC1
SCHEMBL7987598 0.81 RIOK2 (0.41) KMT2AYTHDC1ALDH1A1JAK3FGFR1
SCHEMBL7985495 0.79 CYP11B1 (0.39) KMT2AYTHDC1FGFR1FGFR4MAPT
SCHEMBL7973987 0.79 FGFR1 (0.45) KMT2AGAAHDAC1HDAC6FGFR1
SCHEMBL7985508 0.79 ALDH1A1 (0.43) KMT2AALDH1A1CACNA1HMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed